ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate

C20H20N2O3 — CID 18468116

IUPACethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H20N2O3/c1-2-25-20(24)18(13-14-8-10-16(23)11-9-14)22-17-7-3-5-15-6-4-12-21-19(15)17/h3-12,18,22-23H,2,13H2,1H3
InChIKeyVPRZJIAYNHAVCV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.53
Rot. Bonds6

About ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate

ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate (PubChem CID 18468116) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate
PubChem CID18468116
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H20N2O3/c1-2-25-20(24)18(13-14-8-10-16(23)11-9-14)22-17-7-3-5-15-6-4-12-21-19(15)17/h3-12,18,22-23H,2,13H2,1H3
InChIKeyVPRZJIAYNHAVCV-UHFFFAOYSA-N
XLogP3.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
ethyl 2-oxo-2-(2-quinolin-8-ylhydrazinyl)acetate
CID 5202354
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 66843057
ethyl (2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 101384304
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 2-[(2-chloro-3-pyridinyl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 87826090
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate (CID 18468116) is ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate is CCOC(=O)C(Cc1ccc(O)cc1)Nc1cccc2cccnc12.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate?
The InChIKey is VPRZJIAYNHAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-25-20(24)18(13-14-8-10-16(23)11-9-14)22-17-7-3-5-15-6-4-12-21-19(15)17/h3-12,18,22-23H,2,13H2,1H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate?
ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate has a molecular weight of 336.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-2-(quinolin-8-ylamino)propanoate is sourced from PubChem (CID 18468116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).